5-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[3-(azepan-1-yl)-3-oxo-propyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[3-(1-azepanyl)-3-oxopropyl]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[3-(azepan-1-yl)-3-oxopropyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[3-(azepan-1-yl)-3-keto-propyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H23N5O2 MolecularWeight: 365.42892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CCN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

InChI

InChI=1S/C20H23N5O2/c26-18(23-11-6-1-2-7-12-23)10-13-24-15-21-19-17(20(24)27)14-22-25(19)16-8-4-3-5-9-16/h3-5,8-9,14-15H,1-2,6-7,10-13H2